| SpectraBase Compound ID | DfWBnXfELaP |
|---|---|
| InChI | InChI=1S/C20H20O3/c1-20(2,3)19(22)23-15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)18(17)21/h4-7,10-12H,8-9H2,1-3H3 |
| InChIKey | OCDACFUFNUWVJR-UHFFFAOYSA-N |
| Mol Weight | 308.38 g/mol |
| Molecular Formula | C20H20O3 |
| Exact Mass | 308.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8M7rfL6hHIm |
|---|---|
| Name | 2-Hydroxy-5-dibenzosuberone, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.141244501 u |
| Formula | C20H20O3 |
| InChI | InChI=1S/C20H20O3/c1-20(2,3)19(22)23-15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)18(17)21/h4-7,10-12H,8-9H2,1-3H3 |
| InChIKey | OCDACFUFNUWVJR-UHFFFAOYSA-N |
| Molecular Weight | 308.377 g/mol |
| SMILES | C1(OC(C(C)(C)C)=O)=CC2=C(C=C1)C(=O)C1=C(CC2)C=CC=C1 |